methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate

C11H12Cl2N2O2 — CID 87341288

IUPACmethyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N)c(CC2CC2)c1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-17-11(16)9-7(12)6(4-5-2-3-5)8(14)10(13)15-9/h5H,2-4,14H2,1H3
InChIKeyKACDAZJQWFGLSU-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.71
Rot. Bonds3

About methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate

methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate (PubChem CID 87341288) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate
PubChem CID87341288
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Namemethyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N)c(CC2CC2)c1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-17-11(16)9-7(12)6(4-5-2-3-5)8(14)10(13)15-9/h5H,2-4,14H2,1H3
InChIKeyKACDAZJQWFGLSU-UHFFFAOYSA-N
XLogP2.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate (CID 87341288) is methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate is COC(=O)c1nc(Cl)c(N)c(CC2CC2)c1Cl.
What is the InChIKey of methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate?
The InChIKey is KACDAZJQWFGLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-17-11(16)9-7(12)6(4-5-2-3-5)8(14)10(13)15-9/h5H,2-4,14H2,1H3.
What are the key properties of methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate?
methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate has a molecular weight of 275.13 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3,6-dichloro-4-(cyclopropylmethyl)pyridine-2-carboxylate is sourced from PubChem (CID 87341288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).